N-(1-benzothiophen-3-yl)-2,2,2-trifluoroacetamide

C10H6F3NOS — CID 15732925

IUPACN-(1-benzothiophen-3-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1csc2ccccc12)C(F)(F)F
InChIInChI=1S/C10H6F3NOS/c11-10(12,13)9(15)14-7-5-16-8-4-2-1-3-6(7)8/h1-5H,(H,14,15)
InChIKeyNPQOUEWPTZOLGB-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.40
Rot. Bonds1

About N-(1-benzothiophen-3-yl)-2,2,2-trifluoroacetamide

N-(1-benzothiophen-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 15732925) has the molecular formula C10H6F3NOS and a molecular weight of 245.23 g/mol. Its IUPAC name is N-(1-benzothiophen-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-yl)-2,2,2-trifluoroacetamide
PubChem CID15732925
Molecular FormulaC10H6F3NOS
Molecular Weight245.23 g/mol
Exact Mass245.01
IUPAC NameN-(1-benzothiophen-3-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1csc2ccccc12)C(F)(F)F
InChIInChI=1S/C10H6F3NOS/c11-10(12,13)9(15)14-7-5-16-8-4-2-1-3-6(7)8/h1-5H,(H,14,15)
InChIKeyNPQOUEWPTZOLGB-UHFFFAOYSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-benzothiophen-3-yl)-2,2,2-trifluoroacetamide (CID 15732925) is N-(1-benzothiophen-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-benzothiophen-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-benzothiophen-3-yl)-2,2,2-trifluoroacetamide is O=C(Nc1csc2ccccc12)C(F)(F)F.
What is the InChIKey of N-(1-benzothiophen-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is NPQOUEWPTZOLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NOS/c11-10(12,13)9(15)14-7-5-16-8-4-2-1-3-6(7)8/h1-5H,(H,14,15).
What are the key properties of N-(1-benzothiophen-3-yl)-2,2,2-trifluoroacetamide?
N-(1-benzothiophen-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 245.23 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 15732925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).